N-[2-[N-[(4-chlorophenyl)carbamoyl]anilino]ethyl]-3-methylbutanamide

C20H24ClN3O2 — CID 42701379

IUPACN-[2-[N-[(4-chlorophenyl)carbamoyl]anilino]ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCN(C(=O)Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H24ClN3O2/c1-15(2)14-19(25)22-12-13-24(18-6-4-3-5-7-18)20(26)23-17-10-8-16(21)9-11-17/h3-11,15H,12-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyMHVQUDAGOJGKLO-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.54
Rot. Bonds7

About N-[2-[N-[(4-chlorophenyl)carbamoyl]anilino]ethyl]-3-methylbutanamide

N-[2-[N-[(4-chlorophenyl)carbamoyl]anilino]ethyl]-3-methylbutanamide (PubChem CID 42701379) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[2-[N-[(4-chlorophenyl)carbamoyl]anilino]ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[N-[(4-chlorophenyl)carbamoyl]anilino]ethyl]-3-methylbutanamide
PubChem CID42701379
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[2-[N-[(4-chlorophenyl)carbamoyl]anilino]ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCN(C(=O)Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H24ClN3O2/c1-15(2)14-19(25)22-12-13-24(18-6-4-3-5-7-18)20(26)23-17-10-8-16(21)9-11-17/h3-11,15H,12-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyMHVQUDAGOJGKLO-UHFFFAOYSA-N
XLogP4.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]hexanamide
CID 3946929
1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea
CID 122416480
3-(4-chlorophenyl)-1-[3-[(2-methylphenyl)carbamoylamino]propyl]-1-phenylurea
CID 42657176
4-butyl-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]benzamide
CID 42700558
N-[2-[N-(phenylcarbamoyl)anilino]ethyl]-2-thiophen-2-ylacetamide
CID 42701383
N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]nonanamide
CID 4235291
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113061827
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide
CID 113059799
2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid
CID 60829611
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide
CID 113057534
N-[4-[[[(1S)-1-(4-chlorophenyl)ethyl]-methylcarbamoyl]amino]phenyl]-3-methylbutanamide
CID 51945831
N-[2-[N-[(4-chlorophenyl)carbamoyl]-4-fluoroanilino]ethyl]naphthalene-2-carboxamide
CID 42705494

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-[(4-chlorophenyl)carbamoyl]anilino]ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-[N-[(4-chlorophenyl)carbamoyl]anilino]ethyl]-3-methylbutanamide (CID 42701379) is N-[2-[N-[(4-chlorophenyl)carbamoyl]anilino]ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[N-[(4-chlorophenyl)carbamoyl]anilino]ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-[N-[(4-chlorophenyl)carbamoyl]anilino]ethyl]-3-methylbutanamide is CC(C)CC(=O)NCCN(C(=O)Nc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[2-[N-[(4-chlorophenyl)carbamoyl]anilino]ethyl]-3-methylbutanamide?
The InChIKey is MHVQUDAGOJGKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-15(2)14-19(25)22-12-13-24(18-6-4-3-5-7-18)20(26)23-17-10-8-16(21)9-11-17/h3-11,15H,12-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-[N-[(4-chlorophenyl)carbamoyl]anilino]ethyl]-3-methylbutanamide?
N-[2-[N-[(4-chlorophenyl)carbamoyl]anilino]ethyl]-3-methylbutanamide has a molecular weight of 373.88 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-[(4-chlorophenyl)carbamoyl]anilino]ethyl]-3-methylbutanamide is sourced from PubChem (CID 42701379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).