N-[6-amino-1-[(4-chlorophenyl)methylamino]-1-oxohexan-2-yl]-4-phenylbenzamide

C26H28ClN3O2 — CID 118411664

IUPACN-[6-amino-1-[(4-chlorophenyl)methylamino]-1-oxohexan-2-yl]-4-phenylbenzamide
SMILESNCCCCC(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C26H28ClN3O2/c27-23-15-9-19(10-16-23)18-29-26(32)24(8-4-5-17-28)30-25(31)22-13-11-21(12-14-22)20-6-2-1-3-7-20/h1-3,6-7,9-16,24H,4-5,8,17-18,28H2,(H,29,32)(H,30,31)
InChIKeySHODIDFIVOBMAP-UHFFFAOYSA-N
MW449.98 g/mol
LogP4.55
Rot. Bonds10

About N-[6-amino-1-[(4-chlorophenyl)methylamino]-1-oxohexan-2-yl]-4-phenylbenzamide

N-[6-amino-1-[(4-chlorophenyl)methylamino]-1-oxohexan-2-yl]-4-phenylbenzamide (PubChem CID 118411664) has the molecular formula C26H28ClN3O2 and a molecular weight of 449.98 g/mol. Its IUPAC name is N-[6-amino-1-[(4-chlorophenyl)methylamino]-1-oxohexan-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[6-amino-1-[(4-chlorophenyl)methylamino]-1-oxohexan-2-yl]-4-phenylbenzamide
PubChem CID118411664
Molecular FormulaC26H28ClN3O2
Molecular Weight449.98 g/mol
Exact Mass449.19
IUPAC NameN-[6-amino-1-[(4-chlorophenyl)methylamino]-1-oxohexan-2-yl]-4-phenylbenzamide
SMILESNCCCCC(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C26H28ClN3O2/c27-23-15-9-19(10-16-23)18-29-26(32)24(8-4-5-17-28)30-25(31)22-13-11-21(12-14-22)20-6-2-1-3-7-20/h1-3,6-7,9-16,24H,4-5,8,17-18,28H2,(H,29,32)(H,30,31)
InChIKeySHODIDFIVOBMAP-UHFFFAOYSA-N
XLogP4.55
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.98
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(4-chlorophenyl)methylamino]-1-oxo-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexan-2-yl]-4-phenylbenzamide;hydrochloride
CID 118411699
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]benzamide
CID 20646768
N-[1-[(4-fluorophenyl)methylamino]-6-hydroxy-1-oxohexan-2-yl]benzamide
CID 123995767
(4S)-5-(benzylamino)-4-[[4-(4-hydroxyphenyl)benzoyl]amino]-5-oxopentanoic acid
CID 68700542
4-chloro-N-[4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl]benzamide
CID 51064823
N-[(2R)-5-amino-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopentan-2-yl]naphthalene-2-carboxamide
CID 86755737
(4S)-5-(benzylamino)-5-oxo-4-[(4-pyridin-4-ylbenzoyl)amino]pentanoic acid
CID 68702256
tert-butyl 4-[[4-(4-aminophenyl)benzoyl]amino]-5-(benzylamino)-5-oxopentanoate
CID 67333000
4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide
CID 55575717
N-[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 18774967
N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 6723660

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-[(4-chlorophenyl)methylamino]-1-oxohexan-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[6-amino-1-[(4-chlorophenyl)methylamino]-1-oxohexan-2-yl]-4-phenylbenzamide (CID 118411664) is N-[6-amino-1-[(4-chlorophenyl)methylamino]-1-oxohexan-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[6-amino-1-[(4-chlorophenyl)methylamino]-1-oxohexan-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[6-amino-1-[(4-chlorophenyl)methylamino]-1-oxohexan-2-yl]-4-phenylbenzamide is NCCCCC(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[6-amino-1-[(4-chlorophenyl)methylamino]-1-oxohexan-2-yl]-4-phenylbenzamide?
The InChIKey is SHODIDFIVOBMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O2/c27-23-15-9-19(10-16-23)18-29-26(32)24(8-4-5-17-28)30-25(31)22-13-11-21(12-14-22)20-6-2-1-3-7-20/h1-3,6-7,9-16,24H,4-5,8,17-18,28H2,(H,29,32)(H,30,31).
What are the key properties of N-[6-amino-1-[(4-chlorophenyl)methylamino]-1-oxohexan-2-yl]-4-phenylbenzamide?
N-[6-amino-1-[(4-chlorophenyl)methylamino]-1-oxohexan-2-yl]-4-phenylbenzamide has a molecular weight of 449.98 g/mol, XLogP of 4.55, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-[(4-chlorophenyl)methylamino]-1-oxohexan-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 118411664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).