N-[5-(3-aminopropanoylamino)-2-chlorophenyl]-4-methylbenzamide

C17H18ClN3O2 — CID 82034457

IUPACN-[5-(3-aminopropanoylamino)-2-chlorophenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(NC(=O)CCN)ccc2Cl)cc1
InChIInChI=1S/C17H18ClN3O2/c1-11-2-4-12(5-3-11)17(23)21-15-10-13(6-7-14(15)18)20-16(22)8-9-19/h2-7,10H,8-9,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyWRXHHVLNOMCENS-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.19
Rot. Bonds5

About N-[5-(3-aminopropanoylamino)-2-chlorophenyl]-4-methylbenzamide

N-[5-(3-aminopropanoylamino)-2-chlorophenyl]-4-methylbenzamide (PubChem CID 82034457) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[5-(3-aminopropanoylamino)-2-chlorophenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(3-aminopropanoylamino)-2-chlorophenyl]-4-methylbenzamide
PubChem CID82034457
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-[5-(3-aminopropanoylamino)-2-chlorophenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(NC(=O)CCN)ccc2Cl)cc1
InChIInChI=1S/C17H18ClN3O2/c1-11-2-4-12(5-3-11)17(23)21-15-10-13(6-7-14(15)18)20-16(22)8-9-19/h2-7,10H,8-9,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyWRXHHVLNOMCENS-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-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
3-amino-N-[4-chloro-3-[(2-chloroacetyl)amino]phenyl]propanamide
CID 82034449
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide
CID 82034507
N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide
CID 82034348
N-[5-(3-aminopropanoylamino)-2-chlorophenyl]thiophene-2-carboxamide
CID 82034454
3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174
N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide
CID 2995153
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pyridine-4-carboxamide
CID 39193137
N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-chlorobenzamide
CID 39184820
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide
CID 39193099
N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide
CID 39192976

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminopropanoylamino)-2-chlorophenyl]-4-methylbenzamide?
The IUPAC name of N-[5-(3-aminopropanoylamino)-2-chlorophenyl]-4-methylbenzamide (CID 82034457) is N-[5-(3-aminopropanoylamino)-2-chlorophenyl]-4-methylbenzamide.
What is the SMILES notation for N-[5-(3-aminopropanoylamino)-2-chlorophenyl]-4-methylbenzamide?
The canonical SMILES for N-[5-(3-aminopropanoylamino)-2-chlorophenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(NC(=O)CCN)ccc2Cl)cc1.
What is the InChIKey of N-[5-(3-aminopropanoylamino)-2-chlorophenyl]-4-methylbenzamide?
The InChIKey is WRXHHVLNOMCENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-11-2-4-12(5-3-11)17(23)21-15-10-13(6-7-14(15)18)20-16(22)8-9-19/h2-7,10H,8-9,19H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[5-(3-aminopropanoylamino)-2-chlorophenyl]-4-methylbenzamide?
N-[5-(3-aminopropanoylamino)-2-chlorophenyl]-4-methylbenzamide 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-[5-(3-aminopropanoylamino)-2-chlorophenyl]-4-methylbenzamide is sourced from PubChem (CID 82034457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).