N-[1-(benzhydrylcarbamoylamino)propan-2-yl]-2,6-dichlorobenzamide

C24H23Cl2N3O2 — CID 139505626

IUPACN-[1-(benzhydrylcarbamoylamino)propan-2-yl]-2,6-dichlorobenzamide
SMILESCC(CNC(=O)NC(c1ccccc1)c1ccccc1)NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C24H23Cl2N3O2/c1-16(28-23(30)21-19(25)13-8-14-20(21)26)15-27-24(31)29-22(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-14,16,22H,15H2,1H3,(H,28,30)(H2,27,29,31)
InChIKeyVHGOHIPAAMZXLN-UHFFFAOYSA-N
MW456.37 g/mol
LogP5.20
Rot. Bonds7

About N-[1-(benzhydrylcarbamoylamino)propan-2-yl]-2,6-dichlorobenzamide

N-[1-(benzhydrylcarbamoylamino)propan-2-yl]-2,6-dichlorobenzamide (PubChem CID 139505626) has the molecular formula C24H23Cl2N3O2 and a molecular weight of 456.37 g/mol. Its IUPAC name is N-[1-(benzhydrylcarbamoylamino)propan-2-yl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[1-(benzhydrylcarbamoylamino)propan-2-yl]-2,6-dichlorobenzamide
PubChem CID139505626
Molecular FormulaC24H23Cl2N3O2
Molecular Weight456.37 g/mol
Exact Mass455.12
IUPAC NameN-[1-(benzhydrylcarbamoylamino)propan-2-yl]-2,6-dichlorobenzamide
SMILESCC(CNC(=O)NC(c1ccccc1)c1ccccc1)NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C24H23Cl2N3O2/c1-16(28-23(30)21-19(25)13-8-14-20(21)26)15-27-24(31)29-22(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-14,16,22H,15H2,1H3,(H,28,30)(H2,27,29,31)
InChIKeyVHGOHIPAAMZXLN-UHFFFAOYSA-N
XLogP5.20
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.37
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenylethyl]benzamide
CID 10006604
1-benzhydryl-3-(2-methoxyethyl)urea
CID 108867401
1-benzhydryl-3-prop-2-ynylurea
CID 41304336
2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid
CID 43079894
2,6-dichloro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
CID 142643393
3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid
CID 155944087
2-(benzhydrylcarbamoylamino)acetic acid
CID 43445708
1-benzhydryl-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111503860
1-benzhydryl-3-[4-(2-chlorophenoxy)but-2-ynyl]urea
CID 90575002
1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea
CID 95367329
3-chloro-2-(1-methylsulfanylpropan-2-ylcarbamoyl)benzoic acid
CID 66722740
1-benzhydryl-3-(2-chlorophenyl)urea
CID 108867386

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzhydrylcarbamoylamino)propan-2-yl]-2,6-dichlorobenzamide?
The IUPAC name of N-[1-(benzhydrylcarbamoylamino)propan-2-yl]-2,6-dichlorobenzamide (CID 139505626) is N-[1-(benzhydrylcarbamoylamino)propan-2-yl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[1-(benzhydrylcarbamoylamino)propan-2-yl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[1-(benzhydrylcarbamoylamino)propan-2-yl]-2,6-dichlorobenzamide is CC(CNC(=O)NC(c1ccccc1)c1ccccc1)NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[1-(benzhydrylcarbamoylamino)propan-2-yl]-2,6-dichlorobenzamide?
The InChIKey is VHGOHIPAAMZXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O2/c1-16(28-23(30)21-19(25)13-8-14-20(21)26)15-27-24(31)29-22(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-14,16,22H,15H2,1H3,(H,28,30)(H2,27,29,31).
What are the key properties of N-[1-(benzhydrylcarbamoylamino)propan-2-yl]-2,6-dichlorobenzamide?
N-[1-(benzhydrylcarbamoylamino)propan-2-yl]-2,6-dichlorobenzamide has a molecular weight of 456.37 g/mol, XLogP of 5.20, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzhydrylcarbamoylamino)propan-2-yl]-2,6-dichlorobenzamide is sourced from PubChem (CID 139505626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).