4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide

C19H22ClN3O2 — CID 54832397

IUPAC4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)CNCc2ccccc2Cl)cc1
InChIInChI=1S/C19H22ClN3O2/c1-13(2)22-19(25)14-7-9-16(10-8-14)23-18(24)12-21-11-15-5-3-4-6-17(15)20/h3-10,13,21H,11-12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyJCZLREMWCGASRP-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.21
Rot. Bonds7

About 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide

4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54832397) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID54832397
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)CNCc2ccccc2Cl)cc1
InChIInChI=1S/C19H22ClN3O2/c1-13(2)22-19(25)14-7-9-16(10-8-14)23-18(24)12-21-11-15-5-3-4-6-17(15)20/h3-10,13,21H,11-12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyJCZLREMWCGASRP-UHFFFAOYSA-N
XLogP3.21
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54832614
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N,N-diethylbenzamide
CID 54832867
(2S,3R)-2-[1-[4-[4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]phenyl]phenyl]ethenylamino]-N,3-dihydroxybutanamide
CID 89141199
4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54837767
2-[(2-chlorophenyl)methylamino]-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54832705
2-[(2-chlorophenyl)methylamino]-N-(3,5-dichlorophenyl)acetamide
CID 54832861
4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
CID 119740075
4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide
CID 16640627
4-[(2,3-dichlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180593
2-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 43405213
4-[3-(2-chlorophenyl)propanoylamino]-N-(1-phenylethyl)benzamide
CID 43887660
4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54832994

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide (CID 54832397) is 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(NC(=O)CNCc2ccccc2Cl)cc1.
What is the InChIKey of 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is JCZLREMWCGASRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-13(2)22-19(25)14-7-9-16(10-8-14)23-18(24)12-21-11-15-5-3-4-6-17(15)20/h3-10,13,21H,11-12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide?
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 359.86 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54832397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).