N-[(1R,5R,6R)-3-[(3-amino-3-oxopropyl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-3-fluorobenzamide

C17H20FN3O5 — CID 11865677

IUPACN-[(1R,5R,6R)-3-[(3-amino-3-oxopropyl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-3-fluorobenzamide
SMILESNC(=O)CCNC(=O)C1=C[C@@H](NC(=O)c2cccc(F)c2)[C@@H](O)[C@H](O)C1
InChIInChI=1S/C17H20FN3O5/c18-11-3-1-2-9(6-11)17(26)21-12-7-10(8-13(22)15(12)24)16(25)20-5-4-14(19)23/h1-3,6-7,12-13,15,22,24H,4-5,8H2,(H2,19,23)(H,20,25)(H,21,26)/t12-,13-,15-/m1/s1
InChIKeyIEVLIPADMKEPBM-UMVBOHGHSA-N
MW365.36 g/mol
LogP-1.03
Rot. Bonds6

About N-[(1R,5R,6R)-3-[(3-amino-3-oxopropyl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-3-fluorobenzamide

N-[(1R,5R,6R)-3-[(3-amino-3-oxopropyl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-3-fluorobenzamide (PubChem CID 11865677) has the molecular formula C17H20FN3O5 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[(1R,5R,6R)-3-[(3-amino-3-oxopropyl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(1R,5R,6R)-3-[(3-amino-3-oxopropyl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-3-fluorobenzamide
PubChem CID11865677
Molecular FormulaC17H20FN3O5
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC NameN-[(1R,5R,6R)-3-[(3-amino-3-oxopropyl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-3-fluorobenzamide
SMILESNC(=O)CCNC(=O)C1=C[C@@H](NC(=O)c2cccc(F)c2)[C@@H](O)[C@H](O)C1
InChIInChI=1S/C17H20FN3O5/c18-11-3-1-2-9(6-11)17(26)21-12-7-10(8-13(22)15(12)24)16(25)20-5-4-14(19)23/h1-3,6-7,12-13,15,22,24H,4-5,8H2,(H2,19,23)(H,20,25)(H,21,26)/t12-,13-,15-/m1/s1
InChIKeyIEVLIPADMKEPBM-UMVBOHGHSA-N
XLogP-1.03
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 5-1.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze N-[(1R,5R,6R)-3-[(3-amino-3-oxopropyl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-3-fluorobenzamide with MolForge

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Launch Full Analysis

Related Compounds

N-benzyl-2-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]acetamide
CID 72206067
Myxochelin J11
CID 118988703
Myxochelin J12
CID 118988704
N-benzoyl-D-glucosamine
CID 99829
N-(((2R,3S,4R)-4-amino-3-hydroxytetrahydrofuran-2-yl)methyl)-4-fluorobenzamide
CID 77059071
N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-3-chloro-4-fluorobenzamide
CID 7050084
N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-3-chloro-4-fluorobenzamide
CID 7050109
N-[(1R,5R,6R)-3-[(2-amino-2-oxoethyl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-3-fluorobenzamide
CID 11865661
N-[(1R,5R,6R)-3-[(2-amino-2-oxoethyl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-3-chloro-4-fluorobenzamide
CID 11866287
3-fluoro-N-[[(2R,3S,4R,5S)-5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
CID 25390172
N-[[(2R,3S,4R,5S)-5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-4-methylbenzamide
CID 25390190
N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(prop-2-ynylamino)ethyl]oxolan-2-yl]methyl]-3-fluorobenzamide
CID 25390318

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6R)-3-[(3-amino-3-oxopropyl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-3-fluorobenzamide?
The IUPAC name of N-[(1R,5R,6R)-3-[(3-amino-3-oxopropyl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-3-fluorobenzamide (CID 11865677) is N-[(1R,5R,6R)-3-[(3-amino-3-oxopropyl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[(1R,5R,6R)-3-[(3-amino-3-oxopropyl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-3-fluorobenzamide?
The canonical SMILES for N-[(1R,5R,6R)-3-[(3-amino-3-oxopropyl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-3-fluorobenzamide is NC(=O)CCNC(=O)C1=C[C@@H](NC(=O)c2cccc(F)c2)[C@@H](O)[C@H](O)C1.
What is the InChIKey of N-[(1R,5R,6R)-3-[(3-amino-3-oxopropyl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-3-fluorobenzamide?
The InChIKey is IEVLIPADMKEPBM-UMVBOHGHSA-N. The full InChI is InChI=1S/C17H20FN3O5/c18-11-3-1-2-9(6-11)17(26)21-12-7-10(8-13(22)15(12)24)16(25)20-5-4-14(19)23/h1-3,6-7,12-13,15,22,24H,4-5,8H2,(H2,19,23)(H,20,25)(H,21,26)/t12-,13-,15-/m1/s1.
What are the key properties of N-[(1R,5R,6R)-3-[(3-amino-3-oxopropyl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-3-fluorobenzamide?
N-[(1R,5R,6R)-3-[(3-amino-3-oxopropyl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-3-fluorobenzamide has a molecular weight of 365.36 g/mol, XLogP of -1.03, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6R)-3-[(3-amino-3-oxopropyl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-3-fluorobenzamide is sourced from PubChem (CID 11865677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).