3-(3-chlorophenyl)-N-(2-methyl-4-nitrophenyl)propanamide

C16H15ClN2O3 — CID 19237296

IUPAC3-(3-chlorophenyl)-N-(2-methyl-4-nitrophenyl)propanamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)CCc1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2O3/c1-11-9-14(19(21)22)6-7-15(11)18-16(20)8-5-12-3-2-4-13(17)10-12/h2-4,6-7,9-10H,5,8H2,1H3,(H,18,20)
InChIKeyMUSVYZXZBIFAMI-UHFFFAOYSA-N
MW318.76 g/mol
LogP4.13
Rot. Bonds5

About 3-(3-chlorophenyl)-N-(2-methyl-4-nitrophenyl)propanamide

3-(3-chlorophenyl)-N-(2-methyl-4-nitrophenyl)propanamide (PubChem CID 19237296) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(2-methyl-4-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(2-methyl-4-nitrophenyl)propanamide
PubChem CID19237296
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name3-(3-chlorophenyl)-N-(2-methyl-4-nitrophenyl)propanamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)CCc1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2O3/c1-11-9-14(19(21)22)6-7-15(11)18-16(20)8-5-12-3-2-4-13(17)10-12/h2-4,6-7,9-10H,5,8H2,1H3,(H,18,20)
InChIKeyMUSVYZXZBIFAMI-UHFFFAOYSA-N
XLogP4.13
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-methyl-4-nitrophenyl)propanamide
CID 43424697
N-[(3-chlorophenyl)methyl]-2-methyl-4-nitroaniline
CID 43425365
3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide
CID 43011145
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]azanium
CID 9331546
N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide
CID 1407392
methyl 4-(2-methyl-4-nitroanilino)-4-oxobutanoate
CID 2844064
4-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)butanamide
CID 2843072
3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2-methyl-4-nitrophenyl)propanamide
CID 38508977
N-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide
CID 1407398
3-(3-chlorophenyl)-N-(2-hydroxyphenyl)propanamide
CID 47135378
5-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide
CID 82011572
N-(4-chloro-2-methylphenyl)-4-(4-nitroanilino)butanamide
CID 36664825

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(2-methyl-4-nitrophenyl)propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(2-methyl-4-nitrophenyl)propanamide (CID 19237296) is 3-(3-chlorophenyl)-N-(2-methyl-4-nitrophenyl)propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(2-methyl-4-nitrophenyl)propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(2-methyl-4-nitrophenyl)propanamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)CCc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(2-methyl-4-nitrophenyl)propanamide?
The InChIKey is MUSVYZXZBIFAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-11-9-14(19(21)22)6-7-15(11)18-16(20)8-5-12-3-2-4-13(17)10-12/h2-4,6-7,9-10H,5,8H2,1H3,(H,18,20).
What are the key properties of 3-(3-chlorophenyl)-N-(2-methyl-4-nitrophenyl)propanamide?
3-(3-chlorophenyl)-N-(2-methyl-4-nitrophenyl)propanamide has a molecular weight of 318.76 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(2-methyl-4-nitrophenyl)propanamide is sourced from PubChem (CID 19237296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).