4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide

C16H22ClN3O2 — CID 119712108

IUPAC4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)CNCC1CC1
InChIInChI=1S/C16H22ClN3O2/c1-2-7-19-16(22)13-6-5-12(17)8-14(13)20-15(21)10-18-9-11-3-4-11/h5-6,8,11,18H,2-4,7,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyQWKGUPXVWYPGCK-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.42
Rot. Bonds8

About 4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide

4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide (PubChem CID 119712108) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide
PubChem CID119712108
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)CNCC1CC1
InChIInChI=1S/C16H22ClN3O2/c1-2-7-19-16(22)13-6-5-12(17)8-14(13)20-15(21)10-18-9-11-3-4-11/h5-6,8,11,18H,2-4,7,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyQWKGUPXVWYPGCK-UHFFFAOYSA-N
XLogP2.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide
CID 119712122
5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride
CID 119770124
4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide
CID 87026899
N-(5-chloro-2-ethoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 54862706
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119711773
4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide
CID 51121398
4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 55917656
2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride
CID 119283149
4-chloro-2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 55917777
5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119711772
4-[5-chloro-2-(propylcarbamoyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133655

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide (CID 119712108) is 4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(Cl)cc1NC(=O)CNCC1CC1.
What is the InChIKey of 4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide?
The InChIKey is QWKGUPXVWYPGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-2-7-19-16(22)13-6-5-12(17)8-14(13)20-15(21)10-18-9-11-3-4-11/h5-6,8,11,18H,2-4,7,9-10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide?
4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide has a molecular weight of 323.82 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 119712108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).