N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide

C21H20ClN3O3 — CID 8922758

IUPACN-(4-chlorophenyl)-2-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
SMILESC[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C21H20ClN3O3/c1-14(19-7-4-12-28-19)23-13-20(26)25-18-6-3-2-5-17(18)21(27)24-16-10-8-15(22)9-11-16/h2-12,14,23H,13H2,1H3,(H,24,27)(H,25,26)/t14-/m1/s1
InChIKeySPBRISNSNUUBGD-CQSZACIVSA-N
MW397.86 g/mol
LogP4.47
Rot. Bonds7

About N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide

N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide (PubChem CID 8922758) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
PubChem CID8922758
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN-(4-chlorophenyl)-2-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
SMILESC[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C21H20ClN3O3/c1-14(19-7-4-12-28-19)23-13-20(26)25-18-6-3-2-5-17(18)21(27)24-16-10-8-15(22)9-11-16/h2-12,14,23H,13H2,1H3,(H,24,27)(H,25,26)/t14-/m1/s1
InChIKeySPBRISNSNUUBGD-CQSZACIVSA-N
XLogP4.47
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
CID 8922799
N-(4-ethoxyphenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
CID 8920331
N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8919166
N-(2,3-dichlorophenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918436
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide
CID 8918107
N-(2-acetylphenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336592
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722967
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8918343
N-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917918
N-(2,5-difluorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8919204
N-[4-[(2S)-butan-2-yl]phenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917865
N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918639

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide (CID 8922758) is N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide is C[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide?
The InChIKey is SPBRISNSNUUBGD-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-14(19-7-4-12-28-19)23-13-20(26)25-18-6-3-2-5-17(18)21(27)24-16-10-8-15(22)9-11-16/h2-12,14,23H,13H2,1H3,(H,24,27)(H,25,26)/t14-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide?
N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide has a molecular weight of 397.86 g/mol, XLogP of 4.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 8922758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).