N-[2-[(3-chloro-2-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide

C18H20ClN3O3 — CID 55816767

IUPACN-[2-[(3-chloro-2-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C18H20ClN3O3/c1-12-15(19)4-3-5-16(12)22-18(24)21-11-10-20-17(23)13-6-8-14(25-2)9-7-13/h3-9H,10-11H2,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyKJXUQTBBAJTAKV-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.21
Rot. Bonds6

About N-[2-[(3-chloro-2-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide

N-[2-[(3-chloro-2-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide (PubChem CID 55816767) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[2-[(3-chloro-2-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(3-chloro-2-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
PubChem CID55816767
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC NameN-[2-[(3-chloro-2-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C18H20ClN3O3/c1-12-15(19)4-3-5-16(12)22-18(24)21-11-10-20-17(23)13-6-8-14(25-2)9-7-13/h3-9H,10-11H2,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyKJXUQTBBAJTAKV-UHFFFAOYSA-N
XLogP3.21
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975702
N-[2-[(4-acetamido-2-chlorophenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 56557423
4-methoxy-N-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]benzamide
CID 51118545
1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898298
1-(3-chloro-2-methylphenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894261
1-(3-chloro-2-methylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874436
N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585293
4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836074
N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 47049634
4-methoxy-N-[2-[(2,3,4-trifluorophenyl)carbamoylamino]ethyl]benzamide
CID 51118537
N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide
CID 47032142
N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 32527019

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-2-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[(3-chloro-2-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide (CID 55816767) is N-[2-[(3-chloro-2-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[(3-chloro-2-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[(3-chloro-2-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCNC(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of N-[2-[(3-chloro-2-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide?
The InChIKey is KJXUQTBBAJTAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-12-15(19)4-3-5-16(12)22-18(24)21-11-10-20-17(23)13-6-8-14(25-2)9-7-13/h3-9H,10-11H2,1-2H3,(H,20,23)(H2,21,22,24).
What are the key properties of N-[2-[(3-chloro-2-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide?
N-[2-[(3-chloro-2-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide has a molecular weight of 361.83 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-2-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 55816767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).