4-[(2-amino-1-cyclopropylethyl)amino]-3-chlorobenzamide

C12H16ClN3O — CID 65193649

IUPAC4-[(2-amino-1-cyclopropylethyl)amino]-3-chlorobenzamide
SMILESNCC(Nc1ccc(C(N)=O)cc1Cl)C1CC1
InChIInChI=1S/C12H16ClN3O/c13-9-5-8(12(15)17)3-4-10(9)16-11(6-14)7-1-2-7/h3-5,7,11,16H,1-2,6,14H2,(H2,15,17)
InChIKeyIHMUWFCAAMBFHI-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.59
Rot. Bonds5

About 4-[(2-amino-1-cyclopropylethyl)amino]-3-chlorobenzamide

4-[(2-amino-1-cyclopropylethyl)amino]-3-chlorobenzamide (PubChem CID 65193649) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-[(2-amino-1-cyclopropylethyl)amino]-3-chlorobenzamide.

Molecular Properties

Compound Name4-[(2-amino-1-cyclopropylethyl)amino]-3-chlorobenzamide
PubChem CID65193649
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name4-[(2-amino-1-cyclopropylethyl)amino]-3-chlorobenzamide
SMILESNCC(Nc1ccc(C(N)=O)cc1Cl)C1CC1
InChIInChI=1S/C12H16ClN3O/c13-9-5-8(12(15)17)3-4-10(9)16-11(6-14)7-1-2-7/h3-5,7,11,16H,1-2,6,14H2,(H2,15,17)
InChIKeyIHMUWFCAAMBFHI-UHFFFAOYSA-N
XLogP1.59
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethylamino)-3-chlorobenzamide
CID 63092115
2-(4-carbamoyl-2-chloroanilino)-4-methylpentanoic acid
CID 55182349
2-(4-carbamoyl-2-chloroanilino)-3-methoxypropanoic acid
CID 81078412
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
N-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide
CID 114024784
3-chloro-4-(2-hydroxyethylamino)benzamide
CID 141166266
4-[(2-aminocyclopentyl)amino]-3-chlorobenzamide
CID 63251907
4-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-chlorobenzamide
CID 63092116
3-chloro-4-(1-cyclopropylpropan-2-ylamino)benzoic acid
CID 63995015
N-(5-chloro-2-nitrophenyl)-1-cyclopropylethane-1,2-diamine
CID 113316435
3-chloro-4-[(thian-4-ylamino)methyl]benzamide
CID 102665132
5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide
CID 133322616

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-1-cyclopropylethyl)amino]-3-chlorobenzamide?
The IUPAC name of 4-[(2-amino-1-cyclopropylethyl)amino]-3-chlorobenzamide (CID 65193649) is 4-[(2-amino-1-cyclopropylethyl)amino]-3-chlorobenzamide.
What is the SMILES notation for 4-[(2-amino-1-cyclopropylethyl)amino]-3-chlorobenzamide?
The canonical SMILES for 4-[(2-amino-1-cyclopropylethyl)amino]-3-chlorobenzamide is NCC(Nc1ccc(C(N)=O)cc1Cl)C1CC1.
What is the InChIKey of 4-[(2-amino-1-cyclopropylethyl)amino]-3-chlorobenzamide?
The InChIKey is IHMUWFCAAMBFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-9-5-8(12(15)17)3-4-10(9)16-11(6-14)7-1-2-7/h3-5,7,11,16H,1-2,6,14H2,(H2,15,17).
What are the key properties of 4-[(2-amino-1-cyclopropylethyl)amino]-3-chlorobenzamide?
4-[(2-amino-1-cyclopropylethyl)amino]-3-chlorobenzamide has a molecular weight of 253.73 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-1-cyclopropylethyl)amino]-3-chlorobenzamide is sourced from PubChem (CID 65193649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).