N-benzyl-2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(2-phenylethyl)pentanamide

C28H31Cl2N3O2 — CID 42703977

IUPACN-benzyl-2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(2-phenylethyl)pentanamide
SMILESCCC(C)C(NC(=O)Nc1cccc(Cl)c1Cl)C(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H31Cl2N3O2/c1-3-20(2)26(32-28(35)31-24-16-10-15-23(29)25(24)30)27(34)33(19-22-13-8-5-9-14-22)18-17-21-11-6-4-7-12-21/h4-16,20,26H,3,17-19H2,1-2H3,(H2,31,32,35)
InChIKeyAAGCGOSLHOWGHD-UHFFFAOYSA-N
MW512.48 g/mol
LogP6.80
Rot. Bonds10

About N-benzyl-2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(2-phenylethyl)pentanamide

N-benzyl-2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(2-phenylethyl)pentanamide (PubChem CID 42703977) has the molecular formula C28H31Cl2N3O2 and a molecular weight of 512.48 g/mol. Its IUPAC name is N-benzyl-2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(2-phenylethyl)pentanamide.

Molecular Properties

Compound NameN-benzyl-2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(2-phenylethyl)pentanamide
PubChem CID42703977
Molecular FormulaC28H31Cl2N3O2
Molecular Weight512.48 g/mol
Exact Mass511.18
IUPAC NameN-benzyl-2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(2-phenylethyl)pentanamide
SMILESCCC(C)C(NC(=O)Nc1cccc(Cl)c1Cl)C(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H31Cl2N3O2/c1-3-20(2)26(32-28(35)31-24-16-10-15-23(29)25(24)30)27(34)33(19-22-13-8-5-9-14-22)18-17-21-11-6-4-7-12-21/h4-16,20,26H,3,17-19H2,1-2H3,(H2,31,32,35)
InChIKeyAAGCGOSLHOWGHD-UHFFFAOYSA-N
XLogP6.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.48
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[benzyl(2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide
CID 42703969
(2R,3S)-2-[(2-chlorophenyl)carbamoylamino]-3-methylpentanoic acid
CID 51554188
2-[(2,3-dichlorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 3546923
methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-3-methylbutanoate
CID 3702816
N',N'-dibenzyl-N-(2,3-dichlorophenyl)oxamide
CID 108500761
3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid
CID 61200387
2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(4-phenoxyphenyl)butanamide
CID 4016597
N-benzyl-2-[(2-bromophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 42704142
1-(2,3-dichlorophenyl)-3-[3-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-2-yl]urea
CID 42704038
(2R)-2-amino-N-benzyl-N-(2-phenylethyl)propanamide
CID 78973061
(2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 61164685
N-benzyl-3-phenyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]propanamide
CID 42704140

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(2-phenylethyl)pentanamide?
The IUPAC name of N-benzyl-2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(2-phenylethyl)pentanamide (CID 42703977) is N-benzyl-2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(2-phenylethyl)pentanamide.
What is the SMILES notation for N-benzyl-2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(2-phenylethyl)pentanamide?
The canonical SMILES for N-benzyl-2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(2-phenylethyl)pentanamide is CCC(C)C(NC(=O)Nc1cccc(Cl)c1Cl)C(=O)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(2-phenylethyl)pentanamide?
The InChIKey is AAGCGOSLHOWGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31Cl2N3O2/c1-3-20(2)26(32-28(35)31-24-16-10-15-23(29)25(24)30)27(34)33(19-22-13-8-5-9-14-22)18-17-21-11-6-4-7-12-21/h4-16,20,26H,3,17-19H2,1-2H3,(H2,31,32,35).
What are the key properties of N-benzyl-2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(2-phenylethyl)pentanamide?
N-benzyl-2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(2-phenylethyl)pentanamide has a molecular weight of 512.48 g/mol, XLogP of 6.80, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(2-phenylethyl)pentanamide is sourced from PubChem (CID 42703977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).