N-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide

C17H18ClN3O2 — CID 82034507

IUPACN-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1NC(=O)CCN
InChIInChI=1S/C17H18ClN3O2/c1-11-2-7-14(10-15(11)21-16(22)8-9-19)20-17(23)12-3-5-13(18)6-4-12/h2-7,10H,8-9,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyDKEJFHIVQQFBQW-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.19
Rot. Bonds5

About N-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide

N-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide (PubChem CID 82034507) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide
PubChem CID82034507
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1NC(=O)CCN
InChIInChI=1S/C17H18ClN3O2/c1-11-2-7-14(10-15(11)21-16(22)8-9-19)20-17(23)12-3-5-13(18)6-4-12/h2-7,10H,8-9,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyDKEJFHIVQQFBQW-UHFFFAOYSA-N
XLogP3.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide
CID 39193375
N-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide
CID 39193427
N-[5-(3-aminopropanoylamino)-2-chlorophenyl]-4-methylbenzamide
CID 82034457
4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 24647438
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide
CID 82034485
3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide
CID 55724997
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
N-[2-(5-benzamido-2-methylanilino)-2-oxoethyl]benzamide
CID 60518009
2-amino-N-[3-[(4-chlorophenyl)carbamoylamino]-4-methylphenyl]acetamide
CID 39186247
3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide
CID 39185194
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide
CID 22291056

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide?
The IUPAC name of N-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide (CID 82034507) is N-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide.
What is the SMILES notation for N-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide?
The canonical SMILES for N-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide is Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1NC(=O)CCN.
What is the InChIKey of N-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide?
The InChIKey is DKEJFHIVQQFBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-11-2-7-14(10-15(11)21-16(22)8-9-19)20-17(23)12-3-5-13(18)6-4-12/h2-7,10H,8-9,19H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide?
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide has a molecular weight of 331.80 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide is sourced from PubChem (CID 82034507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).