N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,4-dichloro-5-fluorobenzamide

C17H14Cl2F2N2O2 — CID 60587400

IUPACN-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,4-dichloro-5-fluorobenzamide
SMILESNC(=O)C(CNC(=O)c1cc(F)c(Cl)cc1Cl)Cc1ccc(F)cc1
InChIInChI=1S/C17H14Cl2F2N2O2/c18-13-7-14(19)15(21)6-12(13)17(25)23-8-10(16(22)24)5-9-1-3-11(20)4-2-9/h1-4,6-7,10H,5,8H2,(H2,22,24)(H,23,25)
InChIKeyKOGXKJKEQHRVFT-UHFFFAOYSA-N
MW387.21 g/mol
LogP3.35
Rot. Bonds6

About N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,4-dichloro-5-fluorobenzamide

N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,4-dichloro-5-fluorobenzamide (PubChem CID 60587400) has the molecular formula C17H14Cl2F2N2O2 and a molecular weight of 387.21 g/mol. Its IUPAC name is N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,4-dichloro-5-fluorobenzamide.

Molecular Properties

Compound NameN-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,4-dichloro-5-fluorobenzamide
PubChem CID60587400
Molecular FormulaC17H14Cl2F2N2O2
Molecular Weight387.21 g/mol
Exact Mass386.04
IUPAC NameN-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,4-dichloro-5-fluorobenzamide
SMILESNC(=O)C(CNC(=O)c1cc(F)c(Cl)cc1Cl)Cc1ccc(F)cc1
InChIInChI=1S/C17H14Cl2F2N2O2/c18-13-7-14(19)15(21)6-12(13)17(25)23-8-10(16(22)24)5-9-1-3-11(20)4-2-9/h1-4,6-7,10H,5,8H2,(H2,22,24)(H,23,25)
InChIKeyKOGXKJKEQHRVFT-UHFFFAOYSA-N
XLogP3.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.21
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 111102414
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 47076397
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-chloro-1,3-thiazole-5-carboxamide
CID 56800018
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-chloro-1,3-thiazole-5-carboxamide
CID 95590890
3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide
CID 56819888
2-N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiophene-2,4-dicarboxamide
CID 56800017
(2R)-2-[[(2,6-dichlorophenyl)methylamino]methyl]-3-(4-fluorophenyl)propanamide
CID 97076543
2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914643
(2S)-2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 97120503
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide
CID 95136790
N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide
CID 95583298
2-[[[N-[(2,4-dichlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-3-(4-fluorophenyl)propanamide;hydroiodide
CID 111198111

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,4-dichloro-5-fluorobenzamide?
The IUPAC name of N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,4-dichloro-5-fluorobenzamide (CID 60587400) is N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,4-dichloro-5-fluorobenzamide.
What is the SMILES notation for N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,4-dichloro-5-fluorobenzamide?
The canonical SMILES for N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,4-dichloro-5-fluorobenzamide is NC(=O)C(CNC(=O)c1cc(F)c(Cl)cc1Cl)Cc1ccc(F)cc1.
What is the InChIKey of N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,4-dichloro-5-fluorobenzamide?
The InChIKey is KOGXKJKEQHRVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F2N2O2/c18-13-7-14(19)15(21)6-12(13)17(25)23-8-10(16(22)24)5-9-1-3-11(20)4-2-9/h1-4,6-7,10H,5,8H2,(H2,22,24)(H,23,25).
What are the key properties of N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,4-dichloro-5-fluorobenzamide?
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,4-dichloro-5-fluorobenzamide has a molecular weight of 387.21 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,4-dichloro-5-fluorobenzamide is sourced from PubChem (CID 60587400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).